Samuel Stoneburner

Samuel Stoneburner

Messiah University - Mechanicsburg / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1388494
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person_outline Samuel Stoneburner's MOST POPULAR ARTICLES
1-) Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4 Journal of the American Chemical Society 136 (2), 698-704, 2014
2-) Beyond density functional theory: the multiconfigurational approach to model heterogeneous catalysis ACS catalysis 9 (9), 8481-8502, 2019
3-) Automation of active space selection for multireference methods via machine learning on chemical bond dissociation Journal of Chemical Theory and Computation 16 (4), 2389-2399, 2020
4-) Systematic expansion of active spaces beyond the CASSCF limit: A GASSCF/SplitGAS benchmark study Journal of chemical theory and computation 11 (7), 3010-3021, 2015
5-) MC-PDFT can calculate singlet–triplet splittings of organic diradicals The Journal of chemical physics 148 (6), 2018